N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine

C26H24Cl2N2O2 — CID 70800221

IUPACN-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2cc(Cl)c(C)cc2OCc2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C26H24Cl2N2O2/c1-3-29-15-23-25(19-10-7-11-20(27)13-19)26(32-30-23)21-14-22(28)17(2)12-24(21)31-16-18-8-5-4-6-9-18/h4-14,29H,3,15-16H2,1-2H3
InChIKeyHZTXWDFJTZIING-UHFFFAOYSA-N
MW467.40 g/mol
LogP7.31
Rot. Bonds8

About N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 70800221) has the molecular formula C26H24Cl2N2O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID70800221
Molecular FormulaC26H24Cl2N2O2
Molecular Weight467.40 g/mol
Exact Mass466.12
IUPAC NameN-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2cc(Cl)c(C)cc2OCc2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C26H24Cl2N2O2/c1-3-29-15-23-25(19-10-7-11-20(27)13-19)26(32-30-23)21-14-22(28)17(2)12-24(21)31-16-18-8-5-4-6-9-18/h4-14,29H,3,15-16H2,1-2H3
InChIKeyHZTXWDFJTZIING-UHFFFAOYSA-N
XLogP7.31
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

3-[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-3-methyl-1,2-oxazol-4-yl]benzaldehyde
CID 88981237
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-3-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole
CID 145125242
4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 123255919
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1,2-oxazole-3-carboxylic acid
CID 142773781
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773881
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 70800221) is N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2cc(Cl)c(C)cc2OCc2ccccc2)c1-c1cccc(Cl)c1.
What is the InChIKey of N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is HZTXWDFJTZIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2/c1-3-29-15-23-25(19-10-7-11-20(27)13-19)26(32-30-23)21-14-22(28)17(2)12-24(21)31-16-18-8-5-4-6-9-18/h4-14,29H,3,15-16H2,1-2H3.
What are the key properties of N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 467.40 g/mol, XLogP of 7.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 70800221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).